HRID86950

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

HCID8857

Ethyl acetate

C4H8O2

结构：CC(=O)N1C(Cc2cc(F)cc(F)c2)C(C2CC(=O)CN2C(=O)OC(C)(C)C)OC1(C)C

HCID178473758

未命名化合物

HCID178507002

未命名化合物

PRODUCTS

生成物

结构：CC(=O)N1C(Cc2cc(F)cc(F)c2)C(C2CC(O)(c3ccccc3)CN2C(=O)OC(C)(C)C)OC1(C)C

HCID77558611

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-32cee2bb49604a71bb98a63ded12f0e6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[Br-:1].[C:9]([CH3:10])([CH3:11])([CH3:12])[O:13][C:14](=[O:15])[N:16]1[CH:17]([CH:22]2[CH:23]([CH2:32][c:33]3[cH:34][c:35]([F:40])[cH:36][c:37]([F:39])[cH:38]3)[N:24]([C:29]([CH3:30])=[O:31])[C:25]([CH3:27])([CH3:28])[O:26]2)[CH2:18][C:19](=[O:21])[CH2:20]1.[CH3:41][CH2:42][O:43][C:44](=[O:45])[CH3:46].[c:2]1([Mg+:8])[cH:3][cH:4][cH:5][cH:6][cH:7]1>>[c:2]1([C:19]2([OH:21])[CH2:18][CH:17]([CH:22]3[CH:23]([CH2:32][c:33]4[cH:34][c:35]([F:40])[cH:36][c:37]([F:39])[cH:38]4)[N:24]([C:29]([CH3:30])=[O:31])[C:25]([CH3:27])([CH3:28])[O:26]3)[N:16]([C:14]([O:13][C:9]([CH3:10])([CH3:11])[CH3:12])=[O:15])[CH2:20]2)[cH:3][cH:4][cH:5][cH:6][cH:7]1